Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H13BrClFN4O3 |
| Molecular Weight | 443.655 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCONC(=O)C1=C(NC2=CC=C(Br)C=C2Cl)C(F)=C3N=CNC3=C1
InChI
InChIKey=UBEOBEUUUKHITB-UHFFFAOYSA-N
InChI=1S/C16H13BrClFN4O3/c17-8-1-2-11(10(18)5-8)22-14-9(16(25)23-26-4-3-24)6-12-15(13(14)19)21-7-20-12/h1-2,5-7,22,24H,3-4H2,(H,20,21)(H,23,25)
| Molecular Formula | C16H13BrClFN4O3 |
| Molecular Weight | 443.655 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:40:02 GMT 2023
by
admin
on
Sat Dec 16 15:40:02 GMT 2023
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| Record UNII |
9DUG71QQM6
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| Record Status |
Validated (UNII)
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| Record Version |
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606143-88-8
Created by
admin on Sat Dec 16 15:40:03 GMT 2023 , Edited by admin on Sat Dec 16 15:40:03 GMT 2023
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10238358
Created by
admin on Sat Dec 16 15:40:03 GMT 2023 , Edited by admin on Sat Dec 16 15:40:03 GMT 2023
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9DUG71QQM6
Created by
admin on Sat Dec 16 15:40:03 GMT 2023 , Edited by admin on Sat Dec 16 15:40:03 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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N-desmethyl selumetinib represents less than 10% of selumetinib levels in human plasma, but is approximately 3 to 5 times more potent than the parent compound, contributing to about 21% to 35% of the overall pharmacologic activity.
PLASMA
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PARENT -> METABOLITE ACTIVE |
FECAL
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PARENT -> METABOLITE ACTIVE |
URINE
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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| Tmax | PHARMACOKINETIC |
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Healthy AdultMale Subjects |
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| Biological Half-life | PHARMACOKINETIC |
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